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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL103322
CHEMBL103322
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H27FN4O6

Additional synonyms for CHEMBL103322 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)CC(NCC1Cc2cccc3c(cn(C1)c23)C4=C(C(=O)NC4=O)c5c[nH]c6c ...
Download SMILES
Standard InChI InChI=1S/C30H27FN4O6/c1-40-24(36)10-23(30(39)41-2)32-11-15-8 ...
Download InChI
Standard InChI Key QZOPKQLEQTWWNX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL103322

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
558.6 558.1915 2.7 8 131.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.77 5.7 6.69 6.55 4 41 0.22

Structural Alerts

There are 3 structural alerts for CHEMBL103322. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QZOPKQLEQTWWNX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL103322



PubChem 44334135

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/QZOPKQLEQTWWNX-UHFFFAOYSA-N spacer
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